3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide

C13H14N2O3S — CID 61168279

IUPAC3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N
InChIInChI=1S/C13H14N2O3S/c1-9-5-6-12(8-13(9)14)19(17,18)15-10-3-2-4-11(16)7-10/h2-8,15-16H,14H2,1H3
InChIKeyLZKMWOBXSKIBDH-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide

3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 61168279) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID61168279
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N
InChIInChI=1S/C13H14N2O3S/c1-9-5-6-12(8-13(9)14)19(17,18)15-10-3-2-4-11(16)7-10/h2-8,15-16H,14H2,1H3
InChIKeyLZKMWOBXSKIBDH-UHFFFAOYSA-N
XLogP2.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
CID 43124457
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
CID 110454372
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 61168279) is 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1N.
What is the InChIKey of 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is LZKMWOBXSKIBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-5-6-12(8-13(9)14)19(17,18)15-10-3-2-4-11(16)7-10/h2-8,15-16H,14H2,1H3.
What are the key properties of 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide?
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 61168279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).